2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C64H47BrF5N9O7S3 — CID 158941017

IUPAC2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Br)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(OC(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C22H16F3N3O3S.C21H16BrN3O2S.C21H15F2N3O2S/c23-22(24,25)31-16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)32(26,29)30;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27;22-15-9-13(10-16(23)12-15)5-8-21-25-18-7-6-14(11-19(18)26-21)17-3-1-2-4-20(17)29(24,27)28/h1-13H,(H,27,28)(H2,26,29,30);1-13H,(H,24,25)(H2,23,26,27);1-12H,(H,25,26)(H2,24,27,28)/b11-8+;12-7+;8-5+
InChIKeyJKGBNVWKDSNFLM-NUNAQUAHSA-N
MW1325.23 g/mol
LogP14.08
Rot. Bonds13

About 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 158941017) has the molecular formula C64H47BrF5N9O7S3 and a molecular weight of 1325.23 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID158941017
Molecular FormulaC64H47BrF5N9O7S3
Molecular Weight1325.23 g/mol
Exact Mass1323.19
IUPAC Name2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Br)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(OC(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C22H16F3N3O3S.C21H16BrN3O2S.C21H15F2N3O2S/c23-22(24,25)31-16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)32(26,29)30;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27;22-15-9-13(10-16(23)12-15)5-8-21-25-18-7-6-14(11-19(18)26-21)17-3-1-2-4-20(17)29(24,27)28/h1-13H,(H,27,28)(H2,26,29,30);1-13H,(H,24,25)(H2,23,26,27);1-12H,(H,25,26)(H2,24,27,28)/b11-8+;12-7+;8-5+
InChIKeyJKGBNVWKDSNFLM-NUNAQUAHSA-N
XLogP14.08
TPSA275.75 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.23
LogP ≤ 514.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165165
2-[2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165848
2-[2-[2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 90920883
2-[2-[(E)-2-(5-bromo-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007906
2-[2-[2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165745
2-[2-[2-(3-chloro-4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165606
2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58381211
2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158890542
2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165672
2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59007968
2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008051
6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
CID 67165368

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 158941017) is 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Br)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(OC(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JKGBNVWKDSNFLM-NUNAQUAHSA-N. The full InChI is InChI=1S/C22H16F3N3O3S.C21H16BrN3O2S.C21H15F2N3O2S/c23-22(24,25)31-16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)32(26,29)30;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27;22-15-9-13(10-16(23)12-15)5-8-21-25-18-7-6-14(11-19(18)26-21)17-3-1-2-4-20(17)29(24,27)28/h1-13H,(H,27,28)(H2,26,29,30);1-13H,(H,24,25)(H2,23,26,27);1-12H,(H,25,26)(H2,24,27,28)/b11-8+;12-7+;8-5+.
What are the key properties of 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1325.23 g/mol, XLogP of 14.08, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 158941017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).